(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl propanoate

C8H9FN2O4 — CID 10398379

IUPAC(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl propanoate
SMILESCCC(=O)OCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H9FN2O4/c1-2-6(12)15-4-11-3-5(9)7(13)10-8(11)14/h3H,2,4H2,1H3,(H,10,13,14)
InChIKeyZAAKYBGGELSVCK-UHFFFAOYSA-N
MW216.17 g/mol
LogP-0.41
Rot. Bonds3

About (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl propanoate

(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl propanoate (PubChem CID 10398379) has the molecular formula C8H9FN2O4 and a molecular weight of 216.17 g/mol. Its IUPAC name is (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl propanoate.

Molecular Properties

Compound Name(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl propanoate
PubChem CID10398379
Molecular FormulaC8H9FN2O4
Molecular Weight216.17 g/mol
Exact Mass216.05
IUPAC Name(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl propanoate
SMILESCCC(=O)OCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H9FN2O4/c1-2-6(12)15-4-11-3-5(9)7(13)10-8(11)14/h3H,2,4H2,1H3,(H,10,13,14)
InChIKeyZAAKYBGGELSVCK-UHFFFAOYSA-N
XLogP-0.41
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.17
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate
CID 755455
Stk771272
CID 4015329
1-[(2'-Acetoxyethoxy)methyl]-5-fluorouracil
CID 4443484
5-Fluoro-2,4-dioxo-1,3-dihydropyrimidinyl acetate
CID 1269485
ethyl (5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetate
CID 746586
Ethyl 3-ethoxy-3-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)propanoate
CID 11543635
2-[[2,4-Dioxo-5-(trifluoromethyl)pyrimidin-1-yl]methoxy]ethyl acetate
CID 15954382
1-(1-Butoxy-ethyl)-5-fluoro-1H-pyrimidine-2,4-dione
CID 2883397
Ethyl 3-acetyl-5-fluoro-2,4-dioxopyrimidine-1-carboxylate
CID 12690848
1(2H)-pyrimidineacetic acid, 5-fluoro-3,4-dihydro-2,4-dioxo-, methyl ester
CID 637881
ST4044219
CID 4223196
Ethyl 5-fluoro-2,4-dioxo-3-propanoylpyrimidine-1-carboxylate
CID 12690849

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl propanoate?
The IUPAC name of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl propanoate (CID 10398379) is (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl propanoate.
What is the SMILES notation for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl propanoate?
The canonical SMILES for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl propanoate is CCC(=O)OCn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl propanoate?
The InChIKey is ZAAKYBGGELSVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O4/c1-2-6(12)15-4-11-3-5(9)7(13)10-8(11)14/h3H,2,4H2,1H3,(H,10,13,14).
What are the key properties of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl propanoate?
(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl propanoate has a molecular weight of 216.17 g/mol, XLogP of -0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl propanoate is sourced from PubChem (CID 10398379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).